Compound Detail
CHEMBL57309
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Basic Information
| ChEMBL ID | CHEMBL57309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NORDAWTYFFGLEY-LFIBNONCSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
459.0
MW (Da)
5.40
ALogP
5
HBA
2
HBD
92.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 8.98 | 8.98 | 1.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.8 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of [125I]AII binding to Angiotensin II receptor, type 1 of rat mesent... | 8515425 |
| Type-1 angiotensin II receptor B | IC50 | = | 1.04 | nM | 8.98 | Tested for inhibition of [125I]- AII specific binding to rat mesenteric arteries... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81116-1 | Rattus norvegicus | 3 |
| 8515425 | 10.1021/jm00065a011 | Angiotensin II receptor | 3 |
| - | 10.1016/S0960-894X(01)81116-1 | Type-1 angiotensin II receptor B | 1 |
| - | 10.1016/S0960-894X(01)81116-1 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine